4-[[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid CAS Name: 4-[[3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]amino]anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]phenyl]carbamoyl]benzoic acid Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)O)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)O)C5=NC(=NC=C5)N

InChI

InChI=1S/C27H21N5O3S/c1-15-21-14-20(9-10-23(21)36-24(15)22-11-12-29-27(28)32-22)30-18-3-2-4-19(13-18)31-25(33)16-5-7-17(8-6-16)26(34)35/h2-14,30H,1H3,(H,31,33)(H,34,35)(H2,28,29,32)